![(1S,2S,6R,7R)-2,6-dimethyl-4,10-dioxatricyclo[5.2.1.02,6]decane-3,5-dione structure](/static/products/805/80558-50-5.png)
(1S,2S,6R,7R)-2,6-dimethyl-4,10-dioxatricyclo[5.2.1.02,6]decane-3,5-dione
TL;DR: (1S,2S,6R,7R)-2,6-dimethyl-4,10-dioxatricyclo[5.2.1.02,6]decane-3,5-dione (CAS 80558-50-5) is a chemical compound with molecular formula C10H12O4 and molecular weight 196.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,2S,6R,7R)-2,6-dimethyl-4,10-dioxatricyclo[5.2.1.02,6]decane-3,5-dione
Also Known As: cantharidin
| Molecular Formula | C10H12O4 |
|---|---|
| Molecular Weight | 196.07 g/mol |
| LogP | 0.6436 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 196.07356 |
| Heavy Atoms | 14 |
| Complexity | 318.03116 |
Chemical Identifiers
| CAS Number | 80558-50-5 |
|---|---|
| SMILES | C[C@]12[C@H]3CC[C@@H]([C@]1(C(=O)OC2=O)C)O3 |
Product Overview
(1S,2S,6R,7R)-2,6-dimethyl-4,10-dioxatricyclo[5.2.1.02,6]decane-3,5-dione (CAS 80558-50-5), with molecular formula C10H12O4 and molecular weight 196.07 g/mol. IUPAC: (1S,2S,6R,7R)-2,6-dimethyl-4,10-dioxatricyclo[5.2.1.02,6]decane-3,5-dione.
Chemical Property Profile of (1S,2S,6R,7R)-2,6-dimethyl-4,10-dioxatricyclo[5.2.1.02,6]decane-3,5-dione
Property Insights of (1S,2S,6R,7R)-2,6-dimethyl-4,10-dioxatricyclo[5.2.1.02,6]decane-3,5-dione
The XLogP value of 0.6436 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (1S,2S,6R,7R)-2,6-dimethyl-4,10-dioxatricyclo[5.2.1.02,6]decane-3,5-dione. With a topological polar surface area (TPSA) of 52.6 Ų, (1S,2S,6R,7R)-2,6-dimethyl-4,10-dioxatricyclo[5.2.1.02,6]decane-3,5-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (1S,2S,6R,7R)-2,6-dimethyl-4,10-dioxatricyclo[5.2.1.02,6]decane-3,5-dione has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (1S,2S,6R,7R)-2,6-dimethyl-4,10-dioxatricyclo[5.2.1.02,6]decane-3,5-dione?
The CAS number of (1S,2S,6R,7R)-2,6-dimethyl-4,10-dioxatricyclo[5.2.1.02,6]decane-3,5-dione is 80558-50-5.
What is the molecular formula of (1S,2S,6R,7R)-2,6-dimethyl-4,10-dioxatricyclo[5.2.1.02,6]decane-3,5-dione?
The molecular formula of (1S,2S,6R,7R)-2,6-dimethyl-4,10-dioxatricyclo[5.2.1.02,6]decane-3,5-dione is C10H12O4.
What is the molecular weight of (1S,2S,6R,7R)-2,6-dimethyl-4,10-dioxatricyclo[5.2.1.02,6]decane-3,5-dione?
The molecular weight of (1S,2S,6R,7R)-2,6-dimethyl-4,10-dioxatricyclo[5.2.1.02,6]decane-3,5-dione is 196.07 g/mol.
Where can I buy (1S,2S,6R,7R)-2,6-dimethyl-4,10-dioxatricyclo[5.2.1.02,6]decane-3,5-dione?
You can request a quote for (1S,2S,6R,7R)-2,6-dimethyl-4,10-dioxatricyclo[5.2.1.02,6]decane-3,5-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1S,2S,6R,7R)-2,6-dimethyl-4,10-dioxatricyclo[5.2.1.02,6]decane-3,5-dione?
Yes, KEHONG BIO provides custom synthesis services for (1S,2S,6R,7R)-2,6-dimethyl-4,10-dioxatricyclo[5.2.1.02,6]decane-3,5-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.